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CHEBI:204303 - alpha-Dehydrobiotin

ChEBI IDCHEBI:204303
ChEBI Namealpha-Dehydrobiotin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14N2O3S
Net Charge0
Average Mass242.300
Monoisotopic Mass242.07251
SMILESO=C(O)C=CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
InChIInChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h2,4,6-7,9H,1,3,5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKeyNZERRTYPTPRCIR-ZKWXMUAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces lydicus (ncbitaxon:47763) - PubMed (5924200)
ChEBI Ontology
Outgoing Relation(s)
alpha-Dehydrobiotin (CHEBI:204303) is a thienoimidazole (CHEBI:47029)
IUPAC Name 
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pent-2-enoic acid
Manual XrefsDatabases
110426750ChemSpider